1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea (CAS 428503-47-3) is a chemical compound with molecular formula C15H13ClN2O2S and molecular weight 320.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea, AB00023823-01, AB00023823-02, N-(1,3-Benzodioxol-5-ylmethyl)-N'-(2-chlorophenyl)thiourea, N-(1,3-Benzodioxol-5-ylmethyl)-Na(2)-(2-chlorophenyl)thiourea
| Molecular Formula | C15H13ClN2O2S |
|---|---|
| Molecular Weight | 320.04 g/mol |
| LogP | 3.5553 |
| Topological Polar Surface Area | 42.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.03864 |
| Heavy Atoms | 21 |
| Complexity | 678.4732 |
Chemical Identifiers
| CAS Number | 428503-47-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=CC=C3Cl |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea (CAS 428503-47-3), with molecular formula C15H13ClN2O2S and molecular weight 320.04 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea
The XLogP value of 3.5553 indicates that 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.52 Ų, 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea is 428503-47-3.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea is C15H13ClN2O2S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea is 320.04 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.